1-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine

C10H20N2O — CID 67683833

IUPAC1-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine
SMILESC=C(NC)[C@@H]1C[C@@H](COC)CN1C
InChIInChI=1S/C10H20N2O/c1-8(11-2)10-5-9(7-13-4)6-12(10)3/h9-11H,1,5-7H2,2-4H3/t9-,10+/m1/s1
InChIKeySQDTZLGDZKVPHT-ZJUUUORDSA-N
MW184.28 g/mol
LogP0.69
Rot. Bonds4

About 1-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine

1-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine (PubChem CID 67683833) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine.

Molecular Properties

Compound Name1-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine
PubChem CID67683833
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine
SMILESC=C(NC)[C@@H]1C[C@@H](COC)CN1C
InChIInChI=1S/C10H20N2O/c1-8(11-2)10-5-9(7-13-4)6-12(10)3/h9-11H,1,5-7H2,2-4H3/t9-,10+/m1/s1
InChIKeySQDTZLGDZKVPHT-ZJUUUORDSA-N
XLogP0.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine?
The IUPAC name of 1-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine (CID 67683833) is 1-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine.
What is the SMILES notation for 1-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine?
The canonical SMILES for 1-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine is C=C(NC)[C@@H]1C[C@@H](COC)CN1C.
What is the InChIKey of 1-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine?
The InChIKey is SQDTZLGDZKVPHT-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(11-2)10-5-9(7-13-4)6-12(10)3/h9-11H,1,5-7H2,2-4H3/t9-,10+/m1/s1.
What are the key properties of 1-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine?
1-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine has a molecular weight of 184.28 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-N-methylethenamine is sourced from PubChem (CID 67683833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).